CID 39706

N-(phenylthio)propoxur

Structural Information

Molecular Formula
C17H19NO3S
SMILES
CC(C)OC1=CC=CC=C1OC(=O)N(C)SC2=CC=CC=C2
InChI
InChI=1S/C17H19NO3S/c1-13(2)20-15-11-7-8-12-16(15)21-17(19)18(3)22-14-9-5-4-6-10-14/h4-13H,1-3H3
InChIKey
UMAXIYUNYJXUGI-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) N-methyl-N-phenylsulfanylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.10855 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.115826 174.3
[M+Na]+ 340.097768 179.4
[M-H]- 316.101274 182.0
[M+NH4]+ 335.142373 189.1
[M+K]+ 356.071708 177.3
[M+H-H2O]+ 300.105810 165.7
[M+HCOO]- 362.106751 192.7
[M+CH3COO]- 376.122401 209.7
[M+Na-2H]- 338.083216 174.8
[M]+ 317.10800142 179.7
[M]- 317.10909858 179.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.